101 citations · 330 across the 11 of their papers we have counts for
11 papers
Many-Body Quantum Calculations for Graphyne for Electronic Devices
Xianwei Sha, Clifford M. Krowne
Moving beyond traditional 2D materials is now desirable to have switching capabilities (e.g., transistors). Here we propose using graphyne because, as we will show in this letter,…
Ab Initio Physics Calculations for Borophene for Electronic Devices
Clifford M. Krowne, Xianwei Sha
Moving beyond traditional 2D materials is now desirable to have switching capabilities (e.g., transistors). Here we propose using borophene because, as we will show in this letter,…
First-principles studies on electrical resistivity of iron under pressure
Xianwei Sha*, R. E. Cohen
We investigate the temperature and pressure dependences of the electrical resistivity for bcc and hcp Fe using the low-order variational approximation and theoretical transport spe…
Finite-temperature magnetism in bcc Fe under compression
Xianwei Sha*, R. E. Cohen
We investigate the contributions of finite-temperature magnetic fluctuations to the thermodynamic properties of bcc Fe as a function of pressure. First, we apply a tight-binding to…
Elastic isotropy of hcp-Fe under Earth core conditions
Xianwei Sha, R. E. Cohen
Our first-principles calculations show that both the compressional and shear waves of hcp-Fe become elastically isotropic under the high temperatures of Earth inner core conditions…
First-principles thermal equation of state and thermoelasticity of hcp Fe at high pressures
Xianwei Sha, R. E. Cohen
We investigate the equation of state and elastic properties of hcp iron at high pressures and high temperatures using first principles linear response linear-muffin-tin-orbital met…